CID 201390

5896-89-9

Structural Information

Molecular Formula
C15H25NO
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C
InChI
InChI=1S/C15H25NO/c1-3-4-5-6-7-8-11-17-15-10-9-14(16)12-13(15)2/h9-10,12H,3-8,11,16H2,1-2H3
InChIKey
SEHGINBIAYLEJD-UHFFFAOYSA-N
Compound name
3-methyl-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

235.19362 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.2
[M+Na]+ 258.18284 169.7
[M+NH4]+ 253.22744 166.2
[M+K]+ 274.15678 161.7
[M-H]- 234.18634 161.1
[M+Na-2H]- 256.16829 163.8
[M]+ 235.19307 160.6
[M]- 235.19417 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe